Globulelike Conformation and Enhanced Diffusion of Active Polymers
Globulelike Conformation and Enhanced Diffusion of Active Polymers
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DOI：
10.1103/physrevlett.121.217802
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发表时间：
2018-11-21
影响因子：
8.6
通讯作者：
Malgaretti, Paolo
中科院分区：
文献类型：
--
作者：
Bianco, Valentino;Locatelli, Emanuele;Malgaretti, Paolo
我们研究了由活性单体组成的聚合物的动力学和构象。通过布朗动力学模拟，我们表明，当每个单体的自推进的方向是对齐的骨干，聚合物经历了一个线圈到球状的过渡，突出的回转半径的标度指数的显着变化。同时，对于足够长的聚合物或大幅度的自推进，聚合物的质心的扩散系数变得基本上与聚合物尺寸无关。当单体的自推进不一定与聚合物的主链相切时，这些效应降低。我们的研究结果，合理化的最小随机模型，活性控制的聚合物，并可能为新一代的聚合物为基础的药物载体开辟了新的途径。
We study the dynamics and conformation of polymers composed by active monomers. By means of Brownian dynamics simulations we show that, when the direction of the self-propulsion of each monomer is aligned with the backbone, the polymer undergoes a coil-to-globulelike transition, highlighted by a marked change of the scaling exponent of the gyration radius. Concurrently, the diffusion coefficient of the center of mass of the polymer becomes essentially independent of the polymer size for sufficiently long polymers or large magnitudes of the self-propulsion. These effects are reduced when the self-propulsion of the monomers is not bound to be tangent to the backbone of the polymer. Our results, rationalized by a minimal stochastic model, open new routes for activity-controlled polymers and, possibly, for a new generation of polymer-based drug carriers.